%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-2 1
C 1.617961 -0.000072 0.000249
C 2.372321 -1.193589 0.00017
C 3.774178 -1.205346 0.000181
C 4.48796 0.000055 0.000066
C 3.774083 1.205391 -0.000114
C 2.372216 1.193515 -0.000107
H 1.843346 -2.144943 0.000322
H 4.311334 -2.156221 0.000186
H 5.579243 0.000098 0.000017
H 4.311156 2.156313 -0.000241
H 1.843192 2.144843 -0.000385
Zr -0.740857 0.000038 0.000006
Cl -3.323008 -0.000604 -0.000058
Cl -0.619693 -1.790685 1.777371
Cl -0.619725 -1.790749 -1.777394
Cl -0.62034 1.791088 1.777154
Cl -0.619959 1.790872 -1.777239

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


